5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C13H13ClIN3O — CID 113228022

IUPAC5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCn1ccnc1CCNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H13ClIN3O/c1-18-7-6-16-12(18)4-5-17-13(19)10-8-9(14)2-3-11(10)15/h2-3,6-8H,4-5H2,1H3,(H,17,19)
InChIKeyYPLOPJNEIBHFEX-UHFFFAOYSA-N
MW389.62 g/mol
LogP2.65
Rot. Bonds4

About 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 113228022) has the molecular formula C13H13ClIN3O and a molecular weight of 389.62 g/mol. Its IUPAC name is 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID113228022
Molecular FormulaC13H13ClIN3O
Molecular Weight389.62 g/mol
Exact Mass388.98
IUPAC Name5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCn1ccnc1CCNC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C13H13ClIN3O/c1-18-7-6-16-12(18)4-5-17-13(19)10-8-9(14)2-3-11(10)15/h2-3,6-8H,4-5H2,1H3,(H,17,19)
InChIKeyYPLOPJNEIBHFEX-UHFFFAOYSA-N
XLogP2.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.62
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 61217931
2-(2-fluorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476005
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-4-oxo-1H-pyridine-3-carboxamide
CID 103717832
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
5-amino-2-(dimethylamino)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61214440
2-(ethylamino)-3-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62661928

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 113228022) is 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is Cn1ccnc1CCNC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is YPLOPJNEIBHFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClIN3O/c1-18-7-6-16-12(18)4-5-17-13(19)10-8-9(14)2-3-11(10)15/h2-3,6-8H,4-5H2,1H3,(H,17,19).
What are the key properties of 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 389.62 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 113228022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).